CID 168792952

C3HBr2N3 — CID 168792952

IUPAC—
SMILES[CH]n1nc(Br)c(Br)n1
InChIInChI=1S/C3HBr2N3/c1-8-6-2(4)3(5)7-8/h1H
InChIKeyOCDYRMAFLVWFHK-UHFFFAOYSA-N
MW238.87 g/mol
LogP1.32
Rot. Bonds

About CID 168792952

CID 168792952 (PubChem CID 168792952) has the molecular formula C3HBr2N3 and a molecular weight of 238.87 g/mol.

Molecular Properties

Compound NameCID 168792952
PubChem CID168792952
Molecular FormulaC3HBr2N3
Molecular Weight238.87 g/mol
Exact Mass236.85
IUPAC Name—
SMILES[CH]n1nc(Br)c(Br)n1
InChIInChI=1S/C3HBr2N3/c1-8-6-2(4)3(5)7-8/h1H
InChIKeyOCDYRMAFLVWFHK-UHFFFAOYSA-N
XLogP1.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.87
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11194002
4,5-dibromo-2-(oxan-2-yl)triazole
CID 172993131
1-bromoimidazo[1,5-a]pyridin-6-amine
CID 83835187
3-bromo-5-chloro-1-methylpyrazol-4-amine
CID 84677979
4-bromo-5-(bromomethyl)-2-methyltriazole
CID 59138043
4-bromo-5-fluoro-1-methylimidazole
CID 151012059
4-bromo-5-ethyl-2-methyltriazole
CID 175500101
3-bromo-4-fluoro-1-methylpyrazole
CID 131506344
5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine
CID 89472580

Frequently Asked Questions

What is the IUPAC name of CID 168792952?
The IUPAC name of CID 168792952 (CID 168792952) is not available.
What is the SMILES notation for CID 168792952?
The canonical SMILES for CID 168792952 is [CH]n1nc(Br)c(Br)n1.
What is the InChIKey of CID 168792952?
The InChIKey is OCDYRMAFLVWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBr2N3/c1-8-6-2(4)3(5)7-8/h1H.
What are the key properties of CID 168792952?
CID 168792952 has a molecular weight of 238.87 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168792952 is sourced from PubChem (CID 168792952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).